SCHEMBL12815693

SCHEMBL12815693

COC(Cc1ccccc1)OC(Cc1ccccc1)OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
EPHX1 P07099 1/20 0.46
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
TRPA1 O75762 1/20 0.43
LAP3 P28838 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL112281 0.90 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL14764261 0.90 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL28141718 0.82 TAAR1 (0.45) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL9267735 0.82 LTA4H (0.57) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL28246143 0.80 RCE1 (0.50) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL29151708 0.79 TAAR1 (0.42) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL38661753 0.79 TAAR1 (0.43) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL13006663 0.78 SIGMAR1 (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL13189946 0.78 SIGMAR1 (0.56) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL791591 0.78 TAAR1 (0.50) TAAR1SIGMAR1SLC6A2MAOASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112265974-B Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2022-06-24 CN claimed
CN-112265974-A Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2021-01-26 CN claimed
WO-2012131077-A1 SOMATOSTATIN MIMETICS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2012-10-04 WO claimed
CN-112265974-B Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2022-06-24 CN disclosed
CN-112265974-A Preparation method and application of amorphous iron phosphate 安徽同心新材料科技有限公司 2021-01-26 CN disclosed
WO-2012131077-A1 SOMATOSTATIN MIMETICS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2012-10-04 WO disclosed